USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 161 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 77:sc= 0.00175 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PRO A 12 20.564 2.118 -0.347 1.00 0.00 N ATOM 179 CA PRO A 12 21.235 2.085 0.990 1.00 0.00 C ATOM 180 C PRO A 12 22.296 0.990 1.086 1.00 0.00 C ATOM 181 O PRO A 12 23.489 1.275 1.129 1.00 0.00 O ATOM 182 CB PRO A 12 20.099 1.847 1.995 1.00 0.00 C ATOM 183 CG PRO A 12 18.944 1.361 1.189 1.00 0.00 C ATOM 184 CD PRO A 12 19.103 1.987 -0.192 1.00 0.00 C ATOM 0 HA PRO A 12 21.774 3.013 1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.389 1.113 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.847 2.765 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.942 0.273 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.999 1.656 1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.672 1.357 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.605 2.955 -0.253 1.00 0.00 H new ATOM 192 N THR A 13 21.858 -0.263 1.094 1.00 0.00 N ATOM 193 CA THR A 13 22.776 -1.383 1.310 1.00 0.00 C ATOM 194 C THR A 13 23.917 -1.428 0.286 1.00 0.00 C ATOM 195 O THR A 13 24.955 -2.035 0.549 1.00 0.00 O ATOM 196 CB THR A 13 22.002 -2.702 1.255 1.00 0.00 C ATOM 197 OG1 THR A 13 21.431 -2.860 -0.036 1.00 0.00 O ATOM 198 CG2 THR A 13 20.894 -2.700 2.310 1.00 0.00 C ATOM 0 H THR A 13 20.884 -0.531 0.955 1.00 0.00 H new ATOM 0 HA THR A 13 23.225 -1.237 2.293 1.00 0.00 H new ATOM 0 HB THR A 13 22.684 -3.528 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.936 -3.705 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.347 -3.642 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.335 -2.583 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.210 -1.874 2.117 1.00 0.00 H new ATOM 206 N SER A 14 23.769 -0.740 -0.844 1.00 0.00 N ATOM 207 CA SER A 14 24.739 -0.861 -1.929 1.00 0.00 C ATOM 208 C SER A 14 25.934 0.030 -1.635 1.00 0.00 C ATOM 209 O SER A 14 27.085 -0.406 -1.654 1.00 0.00 O ATOM 210 CB SER A 14 24.107 -0.455 -3.259 1.00 0.00 C ATOM 211 OG SER A 14 22.933 -1.228 -3.473 1.00 0.00 O ATOM 0 H SER A 14 22.997 -0.101 -1.031 1.00 0.00 H new ATOM 0 HA SER A 14 25.063 -1.899 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.861 0.607 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.814 -0.611 -4.074 1.00 0.00 H new ATOM 0 HG SER A 14 22.522 -0.970 -4.325 1.00 0.00 H new ATOM 217 N ILE A 15 25.635 1.281 -1.315 1.00 0.00 N ATOM 218 CA ILE A 15 26.669 2.211 -0.881 1.00 0.00 C ATOM 219 C ILE A 15 27.322 1.681 0.393 1.00 0.00 C ATOM 220 O ILE A 15 28.542 1.719 0.539 1.00 0.00 O ATOM 221 CB ILE A 15 26.063 3.594 -0.613 1.00 0.00 C ATOM 222 CG1 ILE A 15 25.286 4.099 -1.838 1.00 0.00 C ATOM 223 CG2 ILE A 15 27.181 4.583 -0.272 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.189 4.186 -3.075 1.00 0.00 C ATOM 0 H ILE A 15 24.694 1.673 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 15 27.418 2.304 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 15 25.371 3.513 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 15 24.450 3.430 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 15 24.864 5.081 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.751 5.566 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.711 4.240 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 27.877 4.647 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 15 25.609 4.547 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 15 27.010 4.875 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 15 26.590 3.198 -3.303 1.00 0.00 H new ATOM 236 N LEU A 16 26.504 1.142 1.296 1.00 0.00 N ATOM 237 CA LEU A 16 27.024 0.595 2.543 1.00 0.00 C ATOM 238 C LEU A 16 27.975 -0.570 2.270 1.00 0.00 C ATOM 239 O LEU A 16 28.994 -0.718 2.941 1.00 0.00 O ATOM 240 CB LEU A 16 25.872 0.120 3.430 1.00 0.00 C ATOM 241 CG LEU A 16 25.009 1.316 3.839 1.00 0.00 C ATOM 242 CD1 LEU A 16 23.739 0.819 4.531 1.00 0.00 C ATOM 243 CD2 LEU A 16 25.797 2.201 4.808 1.00 0.00 C ATOM 0 H LEU A 16 25.492 1.074 1.188 1.00 0.00 H new ATOM 0 HA LEU A 16 27.575 1.383 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.266 -0.612 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 26.264 -0.378 4.317 1.00 0.00 H new ATOM 0 HG LEU A 16 24.740 1.889 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.126 1.672 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.177 0.184 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.009 0.247 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.185 3.054 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.063 1.624 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 16 26.705 2.556 4.320 1.00 0.00 H new ATOM 255 N LEU A 17 27.656 -1.380 1.265 1.00 0.00 N ATOM 256 CA LEU A 17 28.458 -2.561 0.964 1.00 0.00 C ATOM 257 C LEU A 17 29.859 -2.150 0.529 1.00 0.00 C ATOM 258 O LEU A 17 30.858 -2.694 1.002 1.00 0.00 O ATOM 259 CB LEU A 17 27.789 -3.374 -0.147 1.00 0.00 C ATOM 260 CG LEU A 17 28.461 -4.746 -0.267 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.465 -5.759 -0.835 1.00 0.00 C ATOM 262 CD2 LEU A 17 29.669 -4.652 -1.204 1.00 0.00 C ATOM 0 H LEU A 17 26.854 -1.242 0.650 1.00 0.00 H new ATOM 0 HA LEU A 17 28.533 -3.173 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.728 -3.497 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.862 -2.840 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 17 28.790 -5.068 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.946 -6.734 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.604 -5.835 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.135 -5.431 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.143 -5.630 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.340 -4.325 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 17 30.385 -3.934 -0.804 1.00 0.00 H new ATOM 274 N LEU A 18 29.926 -1.164 -0.356 1.00 0.00 N ATOM 275 CA LEU A 18 31.210 -0.665 -0.830 1.00 0.00 C ATOM 276 C LEU A 18 32.027 -0.139 0.345 1.00 0.00 C ATOM 277 O LEU A 18 33.221 -0.418 0.459 1.00 0.00 O ATOM 278 CB LEU A 18 30.993 0.454 -1.852 1.00 0.00 C ATOM 279 CG LEU A 18 32.337 0.885 -2.439 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.867 -0.214 -3.362 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.151 2.175 -3.242 1.00 0.00 C ATOM 0 H LEU A 18 29.113 -0.697 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 18 31.752 -1.481 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.332 0.110 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.504 1.304 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 18 33.048 1.056 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.825 0.093 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.998 -1.135 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.156 -0.385 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.109 2.484 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.440 2.001 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.772 2.960 -2.587 1.00 0.00 H new ATOM 293 N LEU A 19 31.367 0.592 1.237 1.00 0.00 N ATOM 294 CA LEU A 19 32.045 1.133 2.409 1.00 0.00 C ATOM 295 C LEU A 19 32.594 0.010 3.287 1.00 0.00 C ATOM 296 O LEU A 19 33.700 0.112 3.816 1.00 0.00 O ATOM 297 CB LEU A 19 31.079 1.998 3.223 1.00 0.00 C ATOM 298 CG LEU A 19 30.658 3.214 2.396 1.00 0.00 C ATOM 299 CD1 LEU A 19 29.524 3.952 3.112 1.00 0.00 C ATOM 300 CD2 LEU A 19 31.850 4.159 2.235 1.00 0.00 C ATOM 0 H LEU A 19 30.375 0.821 1.173 1.00 0.00 H new ATOM 0 HA LEU A 19 32.879 1.746 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.202 1.415 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.556 2.322 4.148 1.00 0.00 H new ATOM 0 HG LEU A 19 30.317 2.883 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 19 29.224 4.818 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.672 3.282 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 19 29.867 4.282 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.550 5.026 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.189 4.488 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.661 3.638 1.727 1.00 0.00 H new ATOM 312 N ALA A 20 31.838 -1.077 3.406 1.00 0.00 N ATOM 313 CA ALA A 20 32.240 -2.175 4.278 1.00 0.00 C ATOM 314 C ALA A 20 33.553 -2.786 3.799 1.00 0.00 C ATOM 315 O ALA A 20 34.499 -2.940 4.572 1.00 0.00 O ATOM 316 CB ALA A 20 31.153 -3.250 4.300 1.00 0.00 C ATOM 0 H ALA A 20 30.955 -1.221 2.916 1.00 0.00 H new ATOM 0 HA ALA A 20 32.381 -1.781 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.461 -4.066 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.223 -2.820 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.999 -3.632 3.291 1.00 0.00 H new ATOM 322 N CYS A 21 33.622 -3.084 2.507 1.00 0.00 N ATOM 323 CA CYS A 21 34.796 -3.745 1.954 1.00 0.00 C ATOM 324 C CYS A 21 36.029 -2.870 2.135 1.00 0.00 C ATOM 325 O CYS A 21 37.039 -3.305 2.689 1.00 0.00 O ATOM 326 CB CYS A 21 34.585 -4.035 0.467 1.00 0.00 C ATOM 327 SG CYS A 21 33.247 -5.238 0.271 1.00 0.00 S ATOM 0 H CYS A 21 32.887 -2.881 1.830 1.00 0.00 H new ATOM 0 HA CYS A 21 34.947 -4.685 2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.341 -3.114 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.504 -4.422 0.027 1.00 0.00 H new ATOM 0 HG CYS A 21 32.102 -4.644 0.436 1.00 0.00 H new ATOM 333 N ILE A 22 35.924 -1.619 1.705 1.00 0.00 N ATOM 334 CA ILE A 22 37.066 -0.712 1.764 1.00 0.00 C ATOM 335 C ILE A 22 37.541 -0.498 3.203 1.00 0.00 C ATOM 336 O ILE A 22 38.737 -0.364 3.451 1.00 0.00 O ATOM 337 CB ILE A 22 36.715 0.626 1.101 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.967 1.503 1.028 1.00 0.00 C ATOM 339 CG2 ILE A 22 35.620 1.352 1.887 1.00 0.00 C ATOM 340 CD1 ILE A 22 38.950 0.911 0.017 1.00 0.00 C ATOM 0 H ILE A 22 35.073 -1.212 1.317 1.00 0.00 H new ATOM 0 HA ILE A 22 37.889 -1.171 1.215 1.00 0.00 H new ATOM 0 HB ILE A 22 36.343 0.430 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.696 2.518 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 22 38.435 1.568 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 22 35.388 2.298 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 22 34.724 0.732 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 22 35.967 1.544 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 22 39.841 1.537 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 22 39.231 -0.095 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.480 0.869 -0.966 1.00 0.00 H new ATOM 352 N PHE A 23 36.613 -0.511 4.154 1.00 0.00 N ATOM 353 CA PHE A 23 36.954 -0.271 5.550 1.00 0.00 C ATOM 354 C PHE A 23 37.895 -1.353 6.067 1.00 0.00 C ATOM 355 O PHE A 23 38.983 -1.062 6.568 1.00 0.00 O ATOM 356 CB PHE A 23 35.670 -0.256 6.382 1.00 0.00 C ATOM 357 CG PHE A 23 35.876 0.096 7.835 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.049 1.432 8.216 1.00 0.00 C ATOM 359 CD2 PHE A 23 35.879 -0.914 8.805 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.225 1.758 9.567 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.057 -0.589 10.155 1.00 0.00 C ATOM 362 CZ PHE A 23 36.229 0.747 10.536 1.00 0.00 C ATOM 0 H PHE A 23 35.622 -0.685 3.984 1.00 0.00 H new ATOM 0 HA PHE A 23 37.461 0.690 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 23 34.974 0.459 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.200 -1.238 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.047 2.211 7.468 1.00 0.00 H new ATOM 0 HD2 PHE A 23 35.744 -1.944 8.511 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.358 2.789 9.861 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.062 -1.369 10.902 1.00 0.00 H new ATOM 0 HZ PHE A 23 36.365 0.998 11.578 1.00 0.00 H new ATOM 372 N LEU A 24 37.494 -2.606 5.891 1.00 0.00 N ATOM 373 CA LEU A 24 38.272 -3.719 6.428 1.00 0.00 C ATOM 374 C LEU A 24 39.669 -3.754 5.818 1.00 0.00 C ATOM 375 O LEU A 24 40.668 -3.859 6.530 1.00 0.00 O ATOM 376 CB LEU A 24 37.561 -5.047 6.159 1.00 0.00 C ATOM 377 CG LEU A 24 36.471 -5.271 7.210 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.200 -4.523 6.806 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.168 -6.768 7.316 1.00 0.00 C ATOM 0 H LEU A 24 36.648 -2.876 5.389 1.00 0.00 H new ATOM 0 HA LEU A 24 38.365 -3.572 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.122 -5.040 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.279 -5.867 6.185 1.00 0.00 H new ATOM 0 HG LEU A 24 36.817 -4.897 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.428 -4.686 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.414 -3.457 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.851 -4.892 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.392 -6.930 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.824 -7.139 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.072 -7.302 7.609 1.00 0.00 H new ATOM 391 N ILE A 25 39.738 -3.628 4.497 1.00 0.00 N ATOM 392 CA ILE A 25 41.019 -3.716 3.803 1.00 0.00 C ATOM 393 C ILE A 25 41.956 -2.595 4.250 1.00 0.00 C ATOM 394 O ILE A 25 43.132 -2.834 4.518 1.00 0.00 O ATOM 395 CB ILE A 25 40.803 -3.656 2.285 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.843 -4.772 1.839 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.137 -3.812 1.547 1.00 0.00 C ATOM 398 CD1 ILE A 25 40.368 -6.167 2.216 1.00 0.00 C ATOM 0 H ILE A 25 38.933 -3.467 3.891 1.00 0.00 H new ATOM 0 HA ILE A 25 41.483 -4.669 4.056 1.00 0.00 H new ATOM 0 HB ILE A 25 40.370 -2.686 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.867 -4.616 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.700 -4.718 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 25 41.965 -3.767 0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 25 42.811 -3.008 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.584 -4.772 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.659 -6.925 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 25 41.332 -6.335 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.486 -6.231 3.298 1.00 0.00 H new ATOM 410 N LYS A 26 41.430 -1.379 4.354 1.00 0.00 N ATOM 411 CA LYS A 26 42.262 -0.225 4.670 1.00 0.00 C ATOM 412 C LYS A 26 42.962 -0.406 6.014 1.00 0.00 C ATOM 413 O LYS A 26 44.138 -0.073 6.158 1.00 0.00 O ATOM 414 CB LYS A 26 41.401 1.041 4.707 1.00 0.00 C ATOM 415 CG LYS A 26 42.297 2.269 4.882 1.00 0.00 C ATOM 416 CD LYS A 26 41.428 3.523 5.001 1.00 0.00 C ATOM 417 CE LYS A 26 42.324 4.764 5.021 1.00 0.00 C ATOM 418 NZ LYS A 26 41.515 5.952 5.414 1.00 0.00 N ATOM 0 H LYS A 26 40.440 -1.168 4.225 1.00 0.00 H new ATOM 0 HA LYS A 26 43.022 -0.131 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.825 1.128 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.685 0.982 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.916 2.157 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 26 42.974 2.362 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 26 40.732 3.577 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 26 40.829 3.479 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.146 4.622 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 42.768 4.922 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.122 6.796 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 40.746 6.090 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.112 5.800 6.360 1.00 0.00 H new ATOM 432 N ILE A 27 42.233 -0.931 6.993 1.00 0.00 N ATOM 433 CA ILE A 27 42.794 -1.107 8.330 1.00 0.00 C ATOM 434 C ILE A 27 43.919 -2.143 8.317 1.00 0.00 C ATOM 435 O ILE A 27 45.003 -1.896 8.846 1.00 0.00 O ATOM 436 CB ILE A 27 41.695 -1.528 9.316 1.00 0.00 C ATOM 437 CG1 ILE A 27 40.588 -0.470 9.322 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.270 -1.646 10.732 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.393 -0.975 10.132 1.00 0.00 C ATOM 0 H ILE A 27 41.266 -1.239 6.890 1.00 0.00 H new ATOM 0 HA ILE A 27 43.212 -0.154 8.653 1.00 0.00 H new ATOM 0 HB ILE A 27 41.295 -2.493 9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.963 0.459 9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 27 40.279 -0.248 8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.481 -1.945 11.422 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.063 -2.394 10.742 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.676 -0.683 11.041 1.00 0.00 H new ATOM 0 HD11 ILE A 27 38.608 -0.218 10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.012 -1.893 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.706 -1.174 11.157 1.00 0.00 H new ATOM 451 N LEU A 28 43.657 -3.296 7.712 1.00 0.00 N ATOM 452 CA LEU A 28 44.627 -4.387 7.728 1.00 0.00 C ATOM 453 C LEU A 28 45.929 -3.975 7.049 1.00 0.00 C ATOM 454 O LEU A 28 47.018 -4.271 7.543 1.00 0.00 O ATOM 455 CB LEU A 28 44.047 -5.612 7.018 1.00 0.00 C ATOM 456 CG LEU A 28 42.755 -6.054 7.711 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.118 -7.197 6.920 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.070 -6.538 9.128 1.00 0.00 C ATOM 0 H LEU A 28 42.793 -3.499 7.210 1.00 0.00 H new ATOM 0 HA LEU A 28 44.842 -4.632 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.847 -5.376 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.772 -6.426 7.028 1.00 0.00 H new ATOM 0 HG LEU A 28 42.066 -5.211 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.198 -7.512 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.890 -6.858 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.811 -8.037 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 28 42.149 -6.852 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.760 -7.380 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.526 -5.727 9.696 1.00 0.00 H new